MgCo2OsO6
Alexandria ALEXAlex-ID: agm004953232 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Co3O4 Mg5CoO6 Mg(OsO3)2 Co(OsO3)2
2022-07-30 15:32:34.283528
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004953232).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm004953232
data_agm004953232
_cell_length_a 5.08533
_cell_length_b 5.08602
_cell_length_c 5.51688
_cell_angle_alpha 62.54251
_cell_angle_beta 62.56698
_cell_angle_gamma 59.98787
_cell_volume 104.60818
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.80969 0.80985 0.57055 1.00000
Co1 Co 0.52797 0.52770 0.41658 1.00000
Co2 Co 0.00641 0.00648 0.98068 1.00000
Os1 Os 0.32495 0.32502 0.02503 1.00000
O1 O 0.61101 0.21397 0.23863 1.00000
O2 O 0.21414 0.93636 0.23863 1.00000
O3 O 0.93653 0.61090 0.23863 1.00000
O4 O 0.39267 0.72927 0.76887 1.00000
O5 O 0.72918 0.10931 0.76873 1.00000
O6 O 0.10906 0.39273 0.76888 1.00000
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